#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2rmm s GLN 2 N 0.00 4.49 0.22 2.12 2.00 -1.26 -2.44 119.66 124.79 2rmm s GLN 2 Ca 0.00 1.86 0.09 0.00 -2.00 0.00 0.00 55.36 55.30 2rmm s GLN 2 Cb 0.00 -3.25 -0.05 0.00 0.80 0.00 0.00 33.01 30.51 2rmm s GLN 2 CO 0.00 -0.10 -0.16 0.71 -0.50 0.00 0.00 175.29 175.24 2rmm s TYR 3 N 0.06 1.86 0.07 1.67 1.51 0.19 -4.88 117.35 117.82 2rmm s TYR 3 Ca 0.53 -0.51 0.03 0.00 -1.01 0.00 0.00 57.07 56.11 2rmm s TYR 3 Cb -0.32 -0.85 -0.03 0.00 -0.11 0.00 0.00 41.96 40.65 2rmm s TYR 3 CO 0.36 0.45 -0.09 0.21 -1.11 0.00 0.00 175.55 175.37 2rmm s LYS 4 N -3.58 0.67 -0.06 -0.62 2.20 -0.58 -1.50 119.74 116.26 2rmm s LYS 4 Ca 0.24 -0.96 0.02 0.00 -0.36 0.00 0.00 55.97 54.91 2rmm s LYS 4 Cb -0.02 -0.37 0.02 0.00 -1.51 0.00 0.00 37.83 35.94 2rmm s LYS 4 CO 0.09 0.06 -0.09 -1.17 -0.36 0.00 0.00 175.35 173.87 2rmm s LEU 5 N -2.02 1.52 -0.16 5.43 1.98 0.20 -0.60 118.68 125.04 2rmm s LEU 5 Ca -0.02 -0.24 -0.03 0.00 -2.89 0.00 0.00 54.13 50.95 2rmm s LEU 5 Cb -0.06 -0.69 -0.02 0.00 0.66 0.00 0.00 46.19 46.08 2rmm s LEU 5 CO -0.00 -0.00 -0.06 -0.63 -1.89 0.00 0.00 176.35 173.77 2rmm s ILE 6 N 0.77 3.61 -0.22 6.68 1.01 0.08 -0.91 121.20 132.23 2rmm s ILE 6 Ca -0.13 -0.45 -0.03 0.00 0.00 0.00 0.00 60.65 60.04 2rmm s ILE 6 Cb -0.15 -2.58 0.00 0.00 0.01 0.00 0.00 42.46 39.74 2rmm s ILE 6 CO 0.02 0.49 -0.07 -0.22 0.00 0.00 0.00 174.94 175.16 2rmm s LEU 7 N 0.56 2.84 -0.22 2.97 2.96 0.13 -0.73 118.68 127.18 2rmm s LEU 7 Ca -0.04 -0.51 0.02 0.00 -0.22 0.00 0.00 54.13 53.38 2rmm s LEU 7 Cb -0.15 -1.69 0.04 0.00 0.50 0.00 0.00 46.19 44.89 2rmm s LEU 7 CO 0.03 -0.04 -0.16 0.20 -1.32 0.00 0.00 176.35 175.07 2rmm s ASN 8 N 1.43 3.76 0.35 3.68 0.01 0.40 -1.63 114.94 122.94 2rmm s ASN 8 Ca 0.05 -1.01 -0.11 0.00 -0.71 0.00 0.00 52.86 51.08 2rmm s ASN 8 Cb -0.14 -1.51 0.03 0.00 0.41 0.00 0.00 41.25 40.03 2rmm s ASN 8 CO -0.05 -0.09 0.65 -0.83 -1.51 0.00 0.00 177.10 175.27 2rmm s GLY 9 N 1.20 0.73 -0.25 0.66 0.00 -1.05 -1.34 107.32 107.27 2rmm s GLY 9 Ca -0.02 -0.99 0.04 0.00 0.00 0.00 0.00 44.72 43.76 2rmm s GLY 9 CO -0.09 -0.56 -0.18 0.28 0.00 0.00 0.00 173.10 172.55 2rmm n LYS 10 N -0.52 0.66 0.08 2.90 4.76 -1.26 -4.43 118.16 120.35 2rmm n LYS 10 Ca -0.04 0.13 -0.11 0.00 -2.87 0.00 0.00 58.31 55.41 2rmm n LYS 10 Cb 0.61 -1.52 -0.06 0.00 -1.84 0.00 0.00 35.03 32.22 2rmm n LYS 10 CO 0.00 0.00 0.00 1.15 -1.37 0.00 0.00 177.40 177.18 2rmm h THR 11 N 0.00 1.50 -2.93 -0.18 2.02 -1.98 -3.47 112.91 107.87 2rmm h THR 11 Ca -0.57 -2.78 -0.10 0.00 0.77 0.00 0.00 66.41 63.73 2rmm h THR 11 Cb 1.95 2.62 -0.19 0.00 -1.74 0.00 0.00 68.15 70.79 2rmm h THR 11 CO -0.07 0.81 -0.17 -0.22 0.37 0.00 0.00 175.52 176.24 2rmm s LEU 12 N -7.34 0.55 0.08 2.58 0.20 -1.26 -5.19 118.68 108.30 2rmm s LEU 12 Ca -0.03 0.11 0.02 0.00 0.69 0.00 0.00 54.13 54.91 2rmm s LEU 12 Cb 0.09 1.56 -0.04 0.00 -0.43 0.00 0.00 46.19 47.38 2rmm s LEU 12 CO 0.85 -0.54 -0.06 -0.54 -0.29 0.00 0.00 176.35 175.76 2rmm s LYS 13 N -1.75 0.71 0.00 1.98 1.02 -1.26 -2.54 119.74 117.90 2rmm s LYS 13 Ca -0.10 -1.15 0.00 0.00 0.02 0.00 0.00 55.97 54.74 2rmm s LYS 13 Cb -0.03 -0.17 0.00 0.00 -0.52 0.00 0.00 37.83 37.11 2rmm s LYS 13 CO 0.02 -0.01 0.00 0.41 -0.92 0.00 0.00 175.35 174.85 2rmm n GLY 14 N 0.42 -1.45 3.07 -3.33 0.00 -0.64 -5.00 105.19 98.25 2rmm n GLY 14 Ca -0.15 -1.01 -0.13 0.00 0.00 0.00 0.00 46.02 44.73 2rmm n GLY 14 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2rmm s GLU 15 N -1.18 0.22 0.09 1.61 2.02 -1.26 -0.70 118.70 119.50 2rmm s GLU 15 Ca 0.00 0.36 -0.00 0.00 0.02 0.00 0.00 54.97 55.35 2rmm s GLU 15 Cb 0.00 0.03 -0.04 0.00 0.10 0.00 0.00 34.13 34.22 2rmm s GLU 15 CO 0.00 -0.08 -0.01 0.95 0.02 0.00 0.00 175.26 176.14 2rmm s THR 16 N 0.50 0.30 -0.07 3.63 -4.23 -0.08 -5.02 115.64 110.66 2rmm s THR 16 Ca -0.03 -1.87 -0.08 0.00 -1.18 0.00 0.00 61.69 58.53 2rmm s THR 16 Cb -0.05 -1.71 0.02 0.00 1.34 0.00 0.00 72.50 72.10 2rmm s THR 16 CO -0.03 -0.81 0.23 -0.89 -0.54 0.00 0.00 174.62 172.58 2rmm s THR 17 N -3.89 0.01 0.17 3.99 2.01 -1.26 -0.63 115.64 116.04 2rmm s THR 17 Ca 0.13 -0.09 -0.07 0.00 0.31 0.00 0.00 61.69 61.97 2rmm s THR 17 Cb 0.07 -0.36 -0.02 0.00 0.01 0.00 0.00 72.50 72.21 2rmm s THR 17 CO -0.05 -0.05 0.25 0.28 -0.69 0.00 0.00 174.62 174.35 2rmm s THR 18 N -0.10 0.06 -0.13 -0.82 -1.32 -0.57 -5.01 115.64 107.75 2rmm s THR 18 Ca -0.02 -1.54 0.03 0.00 -1.21 0.00 0.00 61.69 58.95 2rmm s THR 18 Cb -0.02 -1.96 0.01 0.00 -1.51 0.00 0.00 72.50 69.01 2rmm s THR 18 CO 0.01 -0.28 -0.22 -0.70 -2.21 0.00 0.00 174.62 171.22 2rmm s GLU 19 N -4.00 2.91 0.21 7.08 2.12 -1.26 -0.64 118.70 125.11 2rmm s GLU 19 Ca 0.21 -0.82 0.01 0.00 0.36 0.00 0.00 54.97 54.73 2rmm s GLU 19 Cb 0.04 -2.32 -0.05 0.00 0.26 0.00 0.00 34.13 32.06 2rmm s GLU 19 CO 0.02 0.03 0.07 0.00 -0.54 0.00 0.00 175.26 174.84 2rmm s ALA 20 N 0.72 1.42 0.19 6.30 0.00 -1.02 -4.95 121.76 124.42 2rmm s ALA 20 Ca -0.10 -1.71 -0.08 0.00 0.00 0.00 0.00 51.96 50.06 2rmm s ALA 20 Cb -0.16 0.95 0.09 0.00 0.00 0.00 0.00 23.12 24.00 2rmm s ALA 20 CO 0.01 -0.45 1.65 -0.24 0.00 0.00 0.00 175.76 176.73 2rmm h VAL 21 N 2.57 1.26 -3.59 0.00 3.04 -1.95 -2.69 116.25 114.90 2rmm h VAL 21 Ca -0.37 -1.14 -0.08 0.00 -1.01 0.00 0.00 66.70 64.10 2rmm h VAL 21 Cb 1.23 0.79 -0.07 0.00 -2.01 0.00 0.00 31.29 31.22 2rmm h VAL 21 CO 0.60 0.42 -0.05 1.51 -1.01 0.00 0.00 177.57 179.03 2rmm s ASP 22 N -6.58 0.07 0.48 3.17 -4.77 -1.26 -4.68 116.67 103.10 2rmm s ASP 22 Ca -0.12 -1.01 0.20 0.00 -3.30 0.00 0.00 52.55 48.32 2rmm s ASP 22 Cb 0.14 0.64 1.22 0.00 -1.09 0.00 0.00 42.92 43.83 2rmm s ASP 22 CO 0.86 -1.25 1.98 0.00 0.70 0.00 0.00 175.17 177.45 2rmm h ALA 23 N 2.17 2.27 0.04 2.11 0.00 -1.97 -1.09 119.26 122.78 2rmm h ALA 23 Ca -0.26 -0.01 -0.22 0.00 0.00 0.00 0.00 54.91 54.42 2rmm h ALA 23 Cb 1.25 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.01 2rmm h ALA 23 CO 0.35 -0.42 -1.01 0.00 0.00 0.00 0.00 179.25 178.17 2rmm h ALA 24 N 1.71 0.36 -0.22 0.00 0.00 -1.97 -0.26 119.26 118.89 2rmm h ALA 24 Ca 0.28 -0.82 -0.07 0.00 0.00 0.00 0.00 54.91 54.29 2rmm h ALA 24 Cb 0.82 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.52 2rmm h ALA 24 CO -0.05 1.03 -0.15 1.15 0.00 0.00 0.00 179.25 181.24 2rmm h THR 25 N 0.06 1.31 -0.56 0.00 2.02 -1.76 0.25 112.91 114.23 2rmm h THR 25 Ca -0.06 -1.26 -0.03 0.00 0.77 0.00 0.00 66.41 65.83 2rmm h THR 25 Cb 1.71 1.67 -0.03 0.00 -1.74 0.00 0.00 68.15 69.76 2rmm h THR 25 CO 0.15 0.39 0.21 0.00 0.37 0.00 0.00 175.52 176.63 2rmm h ALA 26 N 0.68 1.31 -0.68 6.16 0.00 -1.26 0.16 119.26 125.64 2rmm h ALA 26 Ca 0.04 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 54.77 2rmm h ALA 26 Cb 0.67 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.20 2rmm h ALA 26 CO 0.04 0.51 0.32 1.49 0.00 0.00 0.00 179.25 181.60 2rmm h GLU 27 N 0.81 0.98 -0.32 0.00 4.81 -1.02 -0.43 114.58 119.41 2rmm h GLU 27 Ca 0.19 -0.15 -0.03 0.00 -0.13 0.00 0.00 59.36 59.24 2rmm h GLU 27 Cb 0.19 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 29.38 2rmm h GLU 27 CO -0.01 0.78 0.10 -0.22 -0.73 0.00 0.00 179.01 178.93 2rmm h LYS 28 N 0.94 0.50 0.20 1.92 3.64 -0.19 -0.19 116.57 123.40 2rmm h LYS 28 Ca 0.23 -0.11 -0.00 0.00 -1.27 0.00 0.00 60.65 59.50 2rmm h LYS 28 Cb 0.13 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 31.87 2rmm h LYS 28 CO -0.03 0.53 -0.15 0.28 -2.27 0.00 0.00 179.45 177.81 2rmm h VAL 29 N 0.36 0.67 -0.58 2.00 2.07 -0.87 -1.99 116.25 117.91 2rmm h VAL 29 Ca 0.10 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.62 2rmm h VAL 29 Cb 0.24 0.67 -0.03 0.00 -1.52 0.00 0.00 31.29 30.65 2rmm h VAL 29 CO -0.00 0.00 0.36 -0.26 0.02 0.00 0.00 177.57 177.68 2rmm h PHE 30 N -0.36 0.75 0.00 1.57 0.04 -1.03 -1.20 116.94 116.71 2rmm h PHE 30 Ca -0.01 0.01 -0.05 0.00 2.80 0.00 0.00 57.97 60.72 2rmm h PHE 30 Cb 0.32 -0.25 -0.01 0.00 2.20 0.00 0.00 35.95 38.21 2rmm h PHE 30 CO -0.11 0.50 -0.24 0.87 -0.60 0.00 0.00 178.31 178.73 2rmm h LYS 31 N 0.80 0.00 -0.67 1.51 1.57 -0.86 -1.03 116.57 117.89 2rmm h LYS 31 Ca 0.21 0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 58.93 2rmm h LYS 31 Cb -0.05 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.24 2rmm h LYS 31 CO -0.04 0.24 0.17 0.37 -0.57 0.00 0.00 179.45 179.61 2rmm h GLN 32 N 0.00 1.07 0.10 3.15 5.75 -0.44 -3.13 115.11 121.62 2rmm h GLN 32 Ca -0.00 -0.26 -0.29 0.00 -0.15 0.00 0.00 58.65 57.95 2rmm h GLN 32 Cb 0.57 -0.14 -0.01 0.00 1.07 0.00 0.00 27.48 28.97 2rmm h GLN 32 CO 0.03 0.95 -1.46 1.88 -2.65 0.00 0.00 178.83 177.59 2rmm h TYR 33 N 1.00 0.40 -1.80 3.99 -1.99 -1.51 -3.43 116.97 113.63 2rmm h TYR 33 Ca 0.21 -0.29 -0.58 0.00 2.00 0.00 0.00 58.73 60.07 2rmm h TYR 33 Cb 0.36 -0.02 -0.42 0.00 2.00 0.00 0.00 36.73 38.66 2rmm h TYR 33 CO 0.03 1.32 -0.73 1.19 -0.00 0.00 0.00 178.16 179.97 2rmm n PHE 34 N -3.43 3.47 -0.02 4.88 3.72 -0.40 -4.75 117.46 120.93 2rmm n PHE 34 Ca -0.14 -3.45 -0.03 0.00 -0.05 0.00 0.00 57.45 53.77 2rmm n PHE 34 Cb 1.03 -0.25 -0.02 0.00 -0.94 0.00 0.00 39.48 39.30 2rmm n PHE 34 CO 0.00 0.00 0.00 0.27 -0.05 0.00 0.00 176.76 176.98 2rmm n ASN 35 N -0.36 2.83 -0.18 4.37 6.94 -1.18 -4.76 115.26 122.92 2rmm n ASN 35 Ca 0.34 -0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.90 2rmm n ASN 35 Cb 0.57 -0.08 0.00 0.00 -2.36 0.00 0.00 39.78 37.90 2rmm n ASN 35 CO 0.00 0.00 0.00 -0.90 -1.03 0.00 0.00 177.26 175.33 2rmm n ASP 36 N -2.77 0.00 -0.25 0.53 5.75 -1.26 -3.67 116.55 114.88 2rmm n ASP 36 Ca -0.08 -1.26 0.08 0.00 -0.01 0.00 0.00 54.79 53.52 2rmm n ASP 36 Cb 0.58 -0.05 0.33 0.00 -1.03 0.00 0.00 41.12 40.94 2rmm n ASP 36 CO 0.00 0.00 0.00 -0.55 -0.11 0.00 0.00 177.20 176.54 2rmm h ASN 37 N 0.00 0.73 0.00 -1.12 7.08 -1.94 -3.45 115.58 116.88 2rmm h ASN 37 Ca 0.00 0.02 0.00 0.00 -3.08 0.00 0.00 56.30 53.24 2rmm h ASN 37 Cb 1.10 -0.13 0.00 0.00 -2.08 0.00 0.00 38.32 37.21 2rmm h ASN 37 CO 0.00 0.44 0.00 0.61 -2.08 0.00 0.00 177.43 176.40 2rmm n GLY 38 N -1.43 0.16 0.27 9.14 0.00 -1.26 -5.07 105.19 107.01 2rmm n GLY 38 Ca 0.14 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.01 2rmm n GLY 38 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 2rmm h VAL 39 N 0.00 0.52 -6.35 1.61 3.04 -1.87 -3.47 116.25 109.73 2rmm h VAL 39 Ca 0.00 0.00 -0.48 0.00 -1.01 0.00 0.00 66.70 65.21 2rmm h VAL 39 Cb 0.00 0.52 -0.26 0.00 -2.01 0.00 0.00 31.29 29.54 2rmm h VAL 39 CO 0.00 0.00 -0.71 -0.67 -1.01 0.00 0.00 177.57 175.18 2rmm n ASP 40 N -5.36 -0.80 -4.84 3.17 2.03 -1.24 -4.72 116.55 104.79 2rmm n ASP 40 Ca -0.10 -0.97 -0.22 0.00 0.52 0.00 0.00 54.79 54.02 2rmm n ASP 40 Cb 0.27 -1.23 0.07 0.00 -0.72 0.00 0.00 41.12 39.51 2rmm n ASP 40 CO 0.00 0.00 0.00 -0.83 -1.92 0.00 0.00 177.20 174.45 2rmm s GLY 41 N -3.11 1.78 -0.26 0.27 0.00 -1.26 -4.97 107.32 99.77 2rmm s GLY 41 Ca 0.46 -1.66 -0.26 0.00 0.00 0.00 0.00 44.72 43.26 2rmm s GLY 41 CO 0.79 -1.22 0.93 1.85 0.00 0.00 0.00 173.10 175.45 2rmm s GLU 42 N -4.92 4.16 0.31 2.90 2.12 -0.70 -4.76 118.70 117.80 2rmm s GLU 42 Ca 0.62 1.04 -0.24 0.00 0.36 0.00 0.00 54.97 56.75 2rmm s GLU 42 Cb -0.07 -3.67 -0.10 0.00 0.26 0.00 0.00 34.13 30.55 2rmm s GLU 42 CO 0.41 -0.64 0.90 -1.58 -0.54 0.00 0.00 175.26 173.81 2rmm s TRP 43 N 3.10 3.67 0.04 5.30 0.52 -1.26 -2.15 118.94 128.15 2rmm s TRP 43 Ca 0.39 1.69 0.00 0.00 0.02 0.00 0.00 56.10 58.20 2rmm s TRP 43 Cb -0.15 -2.86 -0.03 0.00 -1.15 0.00 0.00 33.47 29.29 2rmm s TRP 43 CO 0.09 0.22 -0.04 0.99 0.02 0.00 0.00 176.95 178.23 2rmm s THR 44 N -1.62 0.28 -0.06 2.01 2.01 -0.20 -5.00 115.64 113.06 2rmm s THR 44 Ca 0.49 -1.37 -0.05 0.00 0.31 0.00 0.00 61.69 61.07 2rmm s THR 44 Cb -0.18 -0.92 0.02 0.00 0.01 0.00 0.00 72.50 71.43 2rmm s THR 44 CO 0.23 -0.70 0.16 -0.47 -0.69 0.00 0.00 174.62 173.15 2rmm s TYR 45 N -2.56 -0.18 -0.32 4.92 5.04 -1.26 -0.89 117.35 122.10 2rmm s TYR 45 Ca -0.04 0.44 0.02 0.00 -2.44 0.00 0.00 57.07 55.05 2rmm s TYR 45 Cb -0.02 0.04 0.08 0.00 0.35 0.00 0.00 41.96 42.41 2rmm s TYR 45 CO -0.04 -0.10 0.01 -0.51 -1.34 0.00 0.00 175.55 173.57 2rmm s ASP 46 N 0.27 4.76 0.34 4.32 1.01 -0.09 -5.01 116.67 122.27 2rmm s ASP 46 Ca -0.02 -1.76 0.04 0.00 0.71 0.00 0.00 52.55 51.53 2rmm s ASP 46 Cb -0.03 -1.65 0.62 0.00 1.01 0.00 0.00 42.92 42.87 2rmm s ASP 46 CO -0.01 -0.32 1.91 -2.24 0.21 0.00 0.00 175.17 174.71 2rmm h ASP 47 N 7.79 0.53 0.13 0.27 2.03 -1.96 -2.17 116.42 123.04 2rmm h ASP 47 Ca -0.13 -0.08 0.00 0.00 -0.73 0.00 0.00 57.03 56.09 2rmm h ASP 47 Cb 1.04 -0.14 0.00 0.00 -0.83 0.00 0.00 39.33 39.40 2rmm h ASP 47 CO 0.53 0.55 0.00 0.00 -1.03 0.00 0.00 179.24 179.29 2rmm h ALA 48 N 1.53 1.00 0.00 4.15 0.00 -1.96 -2.32 119.26 121.65 2rmm h ALA 48 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.04 2rmm h ALA 48 Cb 0.24 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.03 2rmm h ALA 48 CO -0.00 0.00 -0.06 -2.37 0.00 0.00 0.00 179.25 176.82 2rmm n THR 49 N -2.72 0.69 -4.29 0.00 5.66 -1.16 -5.04 114.28 107.41 2rmm n THR 49 Ca -0.02 -0.75 -0.34 0.00 -3.05 0.00 0.00 64.05 59.89 2rmm n THR 49 Cb 0.09 0.55 -0.06 0.00 -1.55 0.00 0.00 70.33 69.35 2rmm n THR 49 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 175.07 172.31 2rmm n LYS 50 N -0.42 -1.84 -4.71 1.09 4.76 -0.88 -4.84 118.16 111.32 2rmm n LYS 50 Ca 0.02 0.23 -0.24 0.00 -2.87 0.00 0.00 58.31 55.45 2rmm n LYS 50 Cb 0.45 -4.40 -0.16 0.00 -1.84 0.00 0.00 35.03 29.09 2rmm n LYS 50 CO 0.00 0.00 0.00 0.99 -1.37 0.00 0.00 177.40 177.02 2rmm s THR 51 N -3.77 1.23 0.01 -0.18 2.01 -0.86 -1.53 115.64 112.56 2rmm s THR 51 Ca 0.38 -0.63 0.02 0.00 0.31 0.00 0.00 61.69 61.77 2rmm s THR 51 Cb -0.22 -1.05 -0.04 0.00 0.01 0.00 0.00 72.50 71.21 2rmm s THR 51 CO 0.97 0.36 0.01 -0.36 -0.69 0.00 0.00 174.62 174.91 2rmm s PHE 52 N -0.09 3.09 -0.06 4.92 0.08 0.24 -0.91 117.98 125.24 2rmm s PHE 52 Ca 0.00 0.08 -0.01 0.00 0.12 0.00 0.00 56.93 57.13 2rmm s PHE 52 Cb -0.09 -1.66 0.03 0.00 -0.57 0.00 0.00 43.02 40.73 2rmm s PHE 52 CO 0.01 0.48 -0.01 0.99 -0.10 0.00 0.00 175.22 176.58 2rmm s THR 53 N -1.14 0.41 -0.17 0.64 2.01 -0.07 -0.74 115.64 116.59 2rmm s THR 53 Ca 0.21 0.06 -0.00 0.00 0.31 0.00 0.00 61.69 62.27 2rmm s THR 53 Cb -0.12 -0.54 -0.00 0.00 0.01 0.00 0.00 72.50 71.85 2rmm s THR 53 CO 0.12 0.25 -0.13 -0.69 -0.69 0.00 0.00 174.62 173.48 2rmm s VAL 54 N 1.69 2.78 -0.12 3.82 1.01 0.09 -1.03 120.40 128.64 2rmm s VAL 54 Ca 0.01 -0.72 -0.02 0.00 0.00 0.00 0.00 61.98 61.25 2rmm s VAL 54 Cb -0.13 -2.19 0.04 0.00 0.00 0.00 0.00 36.38 34.10 2rmm s VAL 54 CO -0.04 0.50 0.01 -0.89 0.00 0.00 0.00 175.10 174.69 2rmm s THR 55 N 0.91 0.44 -2.00 3.92 2.01 -0.91 -0.45 115.64 119.55 2rmm s THR 55 Ca -0.03 -0.17 0.04 0.00 0.31 0.00 0.00 61.69 61.84 2rmm s THR 55 Cb -0.15 -0.75 0.10 0.00 0.01 0.00 0.00 72.50 71.72 2rmm s THR 55 CO -0.01 0.07 0.70 -0.62 -0.69 0.00 0.00 174.62 174.06